6-amino-1-[(4-fluorophenyl)methyl]-5,7-dimethyl-3,4-dihydroquinolin-2-one

C18H19FN2O — CID 123877548

IUPAC6-amino-1-[(4-fluorophenyl)methyl]-5,7-dimethyl-3,4-dihydroquinolin-2-one
SMILESCc1cc2c(c(C)c1N)CCC(=O)N2Cc1ccc(F)cc1
InChIInChI=1S/C18H19FN2O/c1-11-9-16-15(12(2)18(11)20)7-8-17(22)21(16)10-13-3-5-14(19)6-4-13/h3-6,9H,7-8,10,20H2,1-2H3
InChIKeyNPZIBDPYFNESPJ-UHFFFAOYSA-N
MW298.36 g/mol
LogP3.50
Rot. Bonds2

About 6-amino-1-[(4-fluorophenyl)methyl]-5,7-dimethyl-3,4-dihydroquinolin-2-one

6-amino-1-[(4-fluorophenyl)methyl]-5,7-dimethyl-3,4-dihydroquinolin-2-one (PubChem CID 123877548) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is 6-amino-1-[(4-fluorophenyl)methyl]-5,7-dimethyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-amino-1-[(4-fluorophenyl)methyl]-5,7-dimethyl-3,4-dihydroquinolin-2-one
PubChem CID123877548
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name6-amino-1-[(4-fluorophenyl)methyl]-5,7-dimethyl-3,4-dihydroquinolin-2-one
SMILESCc1cc2c(c(C)c1N)CCC(=O)N2Cc1ccc(F)cc1
InChIInChI=1S/C18H19FN2O/c1-11-9-16-15(12(2)18(11)20)7-8-17(22)21(16)10-13-3-5-14(19)6-4-13/h3-6,9H,7-8,10,20H2,1-2H3
InChIKeyNPZIBDPYFNESPJ-UHFFFAOYSA-N
XLogP3.50
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-[(4-fluorophenyl)methyl]-5,7-dimethyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-amino-1-[(4-fluorophenyl)methyl]-5,7-dimethyl-3,4-dihydroquinolin-2-one (CID 123877548) is 6-amino-1-[(4-fluorophenyl)methyl]-5,7-dimethyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-amino-1-[(4-fluorophenyl)methyl]-5,7-dimethyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-amino-1-[(4-fluorophenyl)methyl]-5,7-dimethyl-3,4-dihydroquinolin-2-one is Cc1cc2c(c(C)c1N)CCC(=O)N2Cc1ccc(F)cc1.
What is the InChIKey of 6-amino-1-[(4-fluorophenyl)methyl]-5,7-dimethyl-3,4-dihydroquinolin-2-one?
The InChIKey is NPZIBDPYFNESPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O/c1-11-9-16-15(12(2)18(11)20)7-8-17(22)21(16)10-13-3-5-14(19)6-4-13/h3-6,9H,7-8,10,20H2,1-2H3.
What are the key properties of 6-amino-1-[(4-fluorophenyl)methyl]-5,7-dimethyl-3,4-dihydroquinolin-2-one?
6-amino-1-[(4-fluorophenyl)methyl]-5,7-dimethyl-3,4-dihydroquinolin-2-one has a molecular weight of 298.36 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-[(4-fluorophenyl)methyl]-5,7-dimethyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 123877548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).